1-methylcyclohexa-2,4-diene-1-carboxamide

C8H11NO — CID 46835245

IUPAC1-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C8H11NO/c1-8(7(9)10)5-3-2-4-6-8/h2-5H,6H2,1H3,(H2,9,10)
InChIKeyUSGWTBYEPDASSL-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.99
Rot. Bonds1

About 1-methylcyclohexa-2,4-diene-1-carboxamide

1-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 46835245) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID46835245
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C8H11NO/c1-8(7(9)10)5-3-2-4-6-8/h2-5H,6H2,1H3,(H2,9,10)
InChIKeyUSGWTBYEPDASSL-UHFFFAOYSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzoylamine
CID 18942709
2,4-Diethyltoluamide
CID 70571702
8-Decatrienamide
CID 129848103
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 66970898
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
2-Fluoro-1,6-dimethylcyclohexa-2,4-diene-1-carboxamide
CID 151036453
6-Fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 152158504
1-(Trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 153936964
4-Fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 173228967
1-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 176085030
1-Methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 177728432

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-methylcyclohexa-2,4-diene-1-carboxamide (CID 46835245) is 1-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-methylcyclohexa-2,4-diene-1-carboxamide is CC1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is USGWTBYEPDASSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(7(9)10)5-3-2-4-6-8/h2-5H,6H2,1H3,(H2,9,10).
What are the key properties of 1-methylcyclohexa-2,4-diene-1-carboxamide?
1-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 46835245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).